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. 2019 Apr 24;141(19):7965–7971. doi: 10.1021/jacs.9b02965

Figure 2.

Figure 2

DFT-calculated geometries of (a) c-P6[b5e]·T6, (b) c-P6[b6]·T6, (c) c-P6[be5]·T6*, and (d) c-P6[e6]·T6* (two orthogonal views of each complex; B3LYP/6-31G*, aryl groups replaced by H to facilitate geometry optimization).